Molecule card · MolClass #46927
24799383
24799383: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24799383Mitochondrial Fusion · compound_name
- MolClass ID
- 46927
- InChIKey
- QVTBXNXASSAIRN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN1CCN(CC1(CCO))Cc3ccc(CN2CCCCC2)s3
- Standard InChI
- InChI=1S/C21H37N3OS/c1-18(2)14-24-12-11-23(15-19(24)8-13-25)17-21-7-6-20(26-21)16-22-9-4-3-5-10-22/h6-7,18-19,25H,3-5,8-17H2,1-2H3
- Stored Murcko scaffold
- s1c(ccc1CN2CCCCC2)CN3CCNCC3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.605 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.482
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24799383